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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 226.2
BDBM50036190

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036190
PNG
(3-Benzooxazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene |...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2o1 |c:7,(-6.76,-24.05,;-7.7,-24.52,;-7.08,-25.79,;-8.4,-25.13,;-8.4,-23.58,;-7.08,-22.79,;-5.74,-23.58,;-5.74,-25.13,;-4.25,-23.17,;-3.77,-21.71,;-2.22,-21.71,;-1.19,-20.56,;.31,-20.88,;.8,-22.36,;-.25,-23.5,;-1.75,-23.17,;-3,-24.08,)|
Show InChI InChI=1S/C14H14N2O/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
100n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036190
PNG
(3-Benzooxazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene |...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2o1 |c:7,(-6.76,-24.05,;-7.7,-24.52,;-7.08,-25.79,;-8.4,-25.13,;-8.4,-23.58,;-7.08,-22.79,;-5.74,-23.58,;-5.74,-25.13,;-4.25,-23.17,;-3.77,-21.71,;-2.22,-21.71,;-1.19,-20.56,;.31,-20.88,;.8,-22.36,;-.25,-23.5,;-1.75,-23.17,;-3,-24.08,)|
Show InChI InChI=1S/C14H14N2O/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Cavia porcellus)
BDBM50036190
PNG
(3-Benzooxazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene |...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2o1 |c:7,(-6.76,-24.05,;-7.7,-24.52,;-7.08,-25.79,;-8.4,-25.13,;-8.4,-23.58,;-7.08,-22.79,;-5.74,-23.58,;-5.74,-25.13,;-4.25,-23.17,;-3.77,-21.71,;-2.22,-21.71,;-1.19,-20.56,;.31,-20.88,;.8,-22.36,;-.25,-23.5,;-1.75,-23.17,;-3,-24.08,)|
Show InChI InChI=1S/C14H14N2O/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
720n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair